Molecule

ID:44241

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅FN₂O₄
Molecular Mass
236.1561032
Exact Mass
236.02333487
Charge
0
InChI
InChI=1S/C10H5FN2O4/c11-7-2-1-6(5-8(7)13(16)17)12-9(14)3-4-10(12)15/h1-5H
InChIKey
FPNVMFULBBEITM-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)[N+](=O)[O-])F
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(c(c1)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.328417
LogD (pH = 7.4)
1.3284177
Log P
1.3284177
Molar Refractivity
55.5668
Polarizability
19.77385
Polar Surface Area
83.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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